%chk=000064094.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064094

0 1
 I    5.570500      -1.938700      0.8846000    
 O    1.121500       2.727400     -0.7889000    
 O   -2.711000       3.365500      4.3299999E-02
 O   -5.889400      -1.130000      0.3308000    
 N   0.7438000      0.4424000     -0.4504000    
 N    2.571500     -0.9853000      0.1068000    
 C  -0.6924000      0.5941000     -0.6944000    
 C   -1.446800      0.8674000      0.6092000    
 C    1.316500     -0.8072000     -0.1689000    
 C    1.529100       1.604600     -0.5038000    
 C   -2.924800       1.003600      0.3895000    
 C    2.960500       1.415400     -0.1864000    
 C    3.418800      0.1299000      0.1123000    
 C   0.4528000      -2.002500     -0.1855000    
 C   -3.485400       2.246900      0.1160000    
 C    3.836600       2.506800     -0.1806000    
 C   -3.725200     -0.1319000      0.4630000    
 C    4.772500     -5.0799999E-02  0.4190000    
 C  -0.1876000      -2.407700      0.9807000    
 C   0.2848000      -2.713900      -1.368700    
 C    5.182300       2.311500      0.1268000    
 C   -5.101000     -2.2800000E-02  0.2608000    
 C    5.650200       1.034200      0.4267000    
 C   -4.861300       2.356000     -8.6000003E-02
 C   -5.669100       1.221200     -1.3700000E-02
 C   -1.005600      -3.537300      0.9634000    
 C  -0.5333000      -3.843600      -1.385900    
 C   -1.178500      -4.255300     -0.2199000    
 H  -0.8473000       1.425200      -1.393400    
 H   -1.095500     -0.2921000      -1.193300    
 H   -1.038100       1.747600       1.121000    
 H   -1.274600      6.0699999E-02   1.329100    
 H    3.491100       3.510900     -0.4099000    
 H   -3.282800      -1.102000      0.6745000    
 H  -4.9300000E-02  -1.864600       1.911500    
 H   0.7827000      -2.400200      -2.282300    
 H    5.865600       3.155800      0.1330000    
 H    6.703800      0.9088000      0.6634000    
 H   -5.310100       3.322200     -0.3001000    
 H   -6.740200       1.312600     -0.1722000    
 H   -1.506100      -3.859100       1.871900    
 H  -0.6681000      -4.402300      -2.307300    
 H   -1.815300      -5.135000     -0.2331000    
 H   -1.780600       3.133500     -0.1006000    
 H   -5.331800      -1.902200      0.5280000    


%chk=000064094-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064094

0 1
I 5.892729 -1.589215 -0.365790
O 0.461717 2.464417 -0.047687
O -2.107398 3.272952 -0.282085
O -6.731092 0.177666 0.610294
N 0.563746 0.126114 -0.166497
N 2.676250 -1.029781 -0.218342
C -0.917811 0.162841 -0.377212
C -1.713895 0.566545 0.899475
C 1.346785 -1.053732 -0.204524
C 1.176612 1.406324 -0.063828
C -3.078739 1.129375 0.537619
C 2.641656 1.427545 -0.025372
C 3.350712 0.185043 -0.145369
C 0.702766 -2.400124 -0.248923
C -3.192075 2.434440 -0.028222
C 3.330464 2.662780 0.081209
C -4.258371 0.371544 0.750248
C 4.780349 0.229918 -0.169635
C -0.358404 -2.778390 0.615550
C 1.249151 -3.365811 -1.135577
C 4.732229 2.672878 0.065106
C -5.527195 0.892829 0.415566
C 5.458675 1.454808 -0.064946
C -4.472642 2.948462 -0.355161
C -5.635252 2.188851 -0.138094
C -0.878172 -4.089689 0.574894
C 0.717506 -4.670654 -1.185019
C -0.351146 -5.036571 -0.333339
H -1.104284 0.903252 -1.174528
H -1.242095 -0.819719 -0.747301
H -1.131215 1.315389 1.466680
H -1.832695 -0.311720 1.558115
H 2.744169 3.582554 0.165927
H -4.173043 -0.633319 1.188571
H -0.748182 -2.068498 1.351753
H 2.097097 -3.081325 -1.766129
H 5.281525 3.615820 0.148068
H 6.552405 1.474795 -0.082520
H -4.529685 3.955455 -0.778762
H -6.625189 2.581330 -0.387897
H -1.685571 -4.374177 1.258109
H 1.140825 -5.402936 -1.880599
H -0.760137 -6.052138 -0.367973
H -1.191787 2.882592 -0.113693
H -6.547889 -0.709016 1.007841


